1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene

C20H20F4 — CID 123410663

IUPAC1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(C(F)=CC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H20F4/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19(21)14-20(22,23)24/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeyWQQIBROQEPSDCO-UHFFFAOYSA-N
MW336.37 g/mol
LogP6.30
Rot. Bonds6

About 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene

1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene (PubChem CID 123410663) has the molecular formula C20H20F4 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene
PubChem CID123410663
Molecular FormulaC20H20F4
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(C(F)=CC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H20F4/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19(21)14-20(22,23)24/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeyWQQIBROQEPSDCO-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.37
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene?
The IUPAC name of 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene (CID 123410663) is 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene is CCCc1ccc(CCc2ccc(C(F)=CC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene?
The InChIKey is WQQIBROQEPSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19(21)14-20(22,23)24/h4-7,10-14H,2-3,8-9H2,1H3.
What are the key properties of 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene?
1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene has a molecular weight of 336.37 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene is sourced from PubChem (CID 123410663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).